(7S)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7S)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7S)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7S)-2-(4-benzylpiperazin-4-ium-1-yl)-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-5-one Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C4C(=N3)CC(CC4=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C4C(=N3)C[C@@H](CC4=O)C5=CC=CS5

InChI

InChI=1S/C23H24N4OS/c28-21-14-18(22-7-4-12-29-22)13-20-19(21)15-24-23(25-20)27-10-8-26(9-11-27)16-17-5-2-1-3-6-17/h1-7,12,15,18H,8-11,13-14,16H2/p+1/t18-/m0/s1